benzyl allyl(1-(2-bromo-4-chlorophenyl)but-3-en-1-yl)carbamate | 1394025-28-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzyl allyl(1-(2-bromo-4-chlorophenyl)but-3-en-1-yl)carbamate
• CAS: 1394025-28-5
• 化学式: C₂₁H₂₁BrClNO₂
• 分子量: 434.76
• InChiKey: FSAQQTDYTOHDOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.54
• 重原子数：
  26.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  29.54
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  benzyl allyl(1-(2-bromo-4-chlorophenyl)but-3-en-1-yl)carbamate 在 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 作用下， 以 二氯甲烷 为溶剂， 以91%的产率得到benzyl 2-(2-bromo-4-chlorophenyl)-3,6-dihydropyridine-1(2H)-carboxylate
  参考文献：
  名称：

  Expedient Synthesis of Norbenzomorphan Library via Multicomponent Assembly Process Coupled with Ring-Closing Reactions

  摘要：

  A 124-member norbenzomorphan library has been prepared utilizing a novel multicomponent assembly process (MCAP) followed by a variety of ring-closing reactions to generate norbenzomorphan scaffolds that were readily derivatized via a series of aryl halide cross-coupling and nitrogen functionalization reactions. Biological screening has revealed some novel activities that have not been previously associated with this class of compounds.

  DOI：

  10.1021/co300068a
• 作为产物：
  描述：

  2-溴-4-氯苯甲醛 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 benzyl allyl(1-(2-bromo-4-chlorophenyl)but-3-en-1-yl)carbamate
  参考文献：
  名称：

  Expedient Synthesis of Norbenzomorphan Library via Multicomponent Assembly Process Coupled with Ring-Closing Reactions

  摘要：

  A 124-member norbenzomorphan library has been prepared utilizing a novel multicomponent assembly process (MCAP) followed by a variety of ring-closing reactions to generate norbenzomorphan scaffolds that were readily derivatized via a series of aryl halide cross-coupling and nitrogen functionalization reactions. Biological screening has revealed some novel activities that have not been previously associated with this class of compounds.

  DOI：

  10.1021/co300068a